⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5821157 | 0.92 | ALDH1A1 (0.36) | — | |
| SCHEMBL9546364 | 0.82 | — | — | |
| SCHEMBL30888457 | 0.69 | ALDH1A1 (0.43) | — | |
| SCHEMBL289021 | 0.67 | — | — | |
| SCHEMBL7757957 | 0.67 | — | — | |
| SCHEMBL25429285 | 0.65 | TSHR (0.43) | — | |
| SCHEMBL2955886 | 0.65 | TSHR (0.35) | — | |
| SCHEMBL29663753 | 0.64 | — | — | |
| SCHEMBL4269106 | 0.64 | — | — | |
| SCHEMBL1356077 | 0.64 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0252144-A1 | ANTITUMOR CYCLOHEXANONE COMPOSITIONS AND DERIVATIVES THEREOF | HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) | 1988-01-13 | — | — | EP | claimed |
| WO-1987004159-A1 | ANTITUMOR CYCLOHEXANONE COMPOSITIONS AND DERIVATIVES THEREOF | HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) | 1987-07-16 | — | — | WO | claimed |
| JP-9221421-A | — | — | None | — | — | JP | disclosed |
| CN-109988219-B | Sesquiterpene cyclohexenone compound and preparation method and application thereof | 云南大学 | 2020-06-05 | — | — | CN | disclosed |
| JP-H09221421-A | ANTI-APOTOSIS AGENT | KYOWA HAKKO KOGYO CO LTD | 1997-08-26 | — | — | JP | disclosed |